3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline

C14H20N2 — CID 79689666

IUPAC3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline
SMILESCC(c1cccc(N)c1)N1CC2(CCC2)C1
InChIInChI=1S/C14H20N2/c1-11(12-4-2-5-13(15)8-12)16-9-14(10-16)6-3-7-14/h2,4-5,8,11H,3,6-7,9-10,15H2,1H3
InChIKeyPENLIZRZUHEHOZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.82
Rot. Bonds2

About 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline

3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline (PubChem CID 79689666) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline
PubChem CID79689666
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline
SMILESCC(c1cccc(N)c1)N1CC2(CCC2)C1
InChIInChI=1S/C14H20N2/c1-11(12-4-2-5-13(15)8-12)16-9-14(10-16)6-3-7-14/h2,4-5,8,11H,3,6-7,9-10,15H2,1H3
InChIKeyPENLIZRZUHEHOZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]aniline
CID 62937705
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline
CID 61263126
3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222
3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
CID 61262194
2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane
CID 170688085
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166588
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
CID 61262196
3-(2-azaspiro[3.5]nonan-2-yl)aniline
CID 79689315
3-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
CID 79688073

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline?
The IUPAC name of 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline (CID 79689666) is 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline.
What is the SMILES notation for 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline?
The canonical SMILES for 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline is CC(c1cccc(N)c1)N1CC2(CCC2)C1.
What is the InChIKey of 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline?
The InChIKey is PENLIZRZUHEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11(12-4-2-5-13(15)8-12)16-9-14(10-16)6-3-7-14/h2,4-5,8,11H,3,6-7,9-10,15H2,1H3.
What are the key properties of 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline?
3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline has a molecular weight of 216.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline is sourced from PubChem (CID 79689666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).